Structure of PDB 2iph Chain B Binding Site BS01

Receptor Information
>2iph Chain B (length=177) Species: 37129 (Southampton virus (serotype 3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLWSRVTKFGSGWGFWVSPTVFITTTHVIPTSAKEFFGEPLTSIAIHRAG
EFTLFRFSKKIRPDLTGMILEEGCPEGTVCSVLIKRDSGELLPLAVRMGA
IASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVYKRANDWVV
CGVHAAATKSGNTVVCAVQASEGETTL
Ligand information
Ligand IDLGG
InChIInChI=1S/C34H51N7O11/c1-19(2)17-25(33(51)38-22(9-13-27(35)43)10-15-29(45)46)40-32(50)24(11-14-28(36)44)39-34(52)26(18-21-7-5-4-6-8-21)41-31(49)23(37-20(3)42)12-16-30(47)48/h4-8,19,22-26H,9-18H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,42)(H,38,51)(H,39,52)(H,40,50)(H,41,49)(H,45,46)(H,47,48)/t22-,23-,24-,25-,26-/m0/s1
InChIKeyIDWPNCOZKNRFJZ-LROMGURASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C
CACTVS 3.341CC(C)C[CH](NC(=O)[CH](CCC(N)=O)NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(C)=O)C(=O)N[CH](CCC(N)=O)CCC(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)NC(CCC(=O)N)CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C
CACTVS 3.341CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)CCC(O)=O
ACDLabs 10.04O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)CCC(=O)O
FormulaC34 H51 N7 O11
NameN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE
ChEMBL
DrugBank
ZINCZINC000024903829
PDB chain2iph Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iph A Structural Study of Norovirus 3C Protease Specificity: Binding of a Designed Active Site-Directed Peptide Inhibitor.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H2030 I2109 Q2110 T2134 I2135 P2136 C2139 H2157 A2158 A2159 A2160 T2161 K2162 T2166 V2168
Binding residue
(residue number reindexed from 1)		H27 I106 Q107 T131 I132 P133 C136 H154 A155 A156 A157 T158 K159 T163 V165
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.66: calicivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2iph, PDBe:2iph, PDBj:2iph
PDBsum2iph
PubMed21128685
UniProtQ04544|POLG_SOUV3 Genome polyprotein (Gene Name=ORF1)

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